SCHEMBL3035150

SCHEMBL3035150

NC(=O)c1ccc(-c2cccc(C(=O)NCc3csc(-c4ccccc4)n3)c2O)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HPGD P15428 1/20 0.52
ATM Q13315 1/20 0.49
KLKB1 P03952 8/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KLK1 P06870 6/20 0.48
PLAU P00749 1/20 0.47
PLAT P00750 1/20 0.47
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 1/20 0.47
KDM4E B2RXH2 2/20 0.46
GRK2 P25098 1/20 0.46
LMNA P02545 1/20 0.46
PLG P00747 1/20 0.45
PRSS1 P07477 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3035972 0.74 HDAC6 (0.65) HPGDKLKB1NPC1RAB9AROCK2
SCHEMBL3037017 0.74 HTT (0.64) KMT2AHPGDKDM4ELMNA
SCHEMBL16603168 0.73 MEN1 (0.57) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL3023737 0.73 POLB (0.55) KMT2AHPGDPLAUPLATKDM4E
SCHEMBL3025996 0.72 RAB9A (0.57) MEN1KMT2AHPGDKLKB1NPC1
SCHEMBL15954118 0.72 LIPG (0.63) HPGDATMKLKB1NPC1RAB9A
SCHEMBL28145119 0.71 KLK1 (0.50) HPGDKLKB1KLK1PLGPRSS1
SCHEMBL3025881 0.71 RAB9A (0.61) KMT2AHPGDRAB9AROCK2ROCK1
SCHEMBL3034652 0.71 MLYCD (0.57) MEN1KMT2AHPGDLMNA
SCHEMBL3039261 0.70 HPGD (0.59) HPGDKLKB1NPC1RAB9AROCK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS KATTAR SOLOMON 2010-08-26 US claimed
US-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS KATTAR SOLOMON 2010-08-26 US disclosed
EP-2205070-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2010-07-14 EP disclosed
WO-2009045385-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2009-04-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS BRDT, AADAC, ACIN1 MEN1 2346/4885KMT2A 32/4885HPGD 188/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.